4-(1H-benzimidazol-2-yl)-1-(2,6-dimethoxy-4-pyridinyl)-5-imino-2H-pyrrol-3-ol;4-(1H-benzimidazol-2-yl)-1-(4,6-dimethoxy-2-pyridinyl)-5-imino-2H-pyrrol-3-ol;(2S)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-methylpyrrolidin-3-one;(2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-methylpyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3-ethyl-5-methoxyphenyl)-2,2-dimethyl-5-methyliminopyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-2,2-dimethyl-5-(methylamino)-4-(1-methylbenzimidazol-2-yl)pyrrol-3-one

C125H129N23O17 — CID 160609662

About 4-(1H-benzimidazol-2-yl)-1-(2,6-dimethoxy-4-pyridinyl)-5-imino-2H-pyrrol-3-ol;4-(1H-benzimidazol-2-yl)-1-(4,6-dimethoxy-2-pyridinyl)-5-imino-2H-pyrrol-3-ol;(2S)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-methylpyrrolidin-3-one;(2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-methylpyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3-ethyl-5-methoxyphenyl)-2,2-dimethyl-5-methyliminopyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-2,2-dimethyl-5-(methylamino)-4-(1-methylbenzimidazol-2-yl)pyrrol-3-one

4-(1H-benzimidazol-2-yl)-1-(2,6-dimethoxy-4-pyridinyl)-5-imino-2H-pyrrol-3-ol;4-(1H-benzimidazol-2-yl)-1-(4,6-dimethoxy-2-pyridinyl)-5-imino-2H-pyrrol-3-ol;(2S)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-methylpyrrolidin-3-one;(2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-methylpyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3-ethyl-5-methoxyphenyl)-2,2-dimethyl-5-methyliminopyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-2,2-dimethyl-5-(methylamino)-4-(1-methylbenzimidazol-2-yl)pyrrol-3-one (PubChem CID 160609662) has the molecular formula C125H129N23O17 and a molecular weight of 2225.55 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-1-(2,6-dimethoxy-4-pyridinyl)-5-imino-2H-pyrrol-3-ol;4-(1H-benzimidazol-2-yl)-1-(4,6-dimethoxy-2-pyridinyl)-5-imino-2H-pyrrol-3-ol;(2S)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-methylpyrrolidin-3-one;(2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-methylpyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3-ethyl-5-methoxyphenyl)-2,2-dimethyl-5-methyliminopyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-2,2-dimethyl-5-(methylamino)-4-(1-methylbenzimidazol-2-yl)pyrrol-3-one.

Molecular Properties

• Compound Name: 4-(1H-benzimidazol-2-yl)-1-(2,6-dimethoxy-4-pyridinyl)-5-imino-2H-pyrrol-3-ol;4-(1H-benzimidazol-2-yl)-1-(4,6-dimethoxy-2-pyridinyl)-5-imino-2H-pyrrol-3-ol;(2S)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-methylpyrrolidin-3-one;(2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-methylpyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3-ethyl-5-methoxyphenyl)-2,2-dimethyl-5-methyliminopyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-2,2-dimethyl-5-(methylamino)-4-(1-methylbenzimidazol-2-yl)pyrrol-3-one
• PubChem CID: 160609662
• Molecular Formula: C125H129N23O17
• Molecular Weight: 2225.55 g/mol
• Exact Mass: 2223.99
• IUPAC Name: 4-(1H-benzimidazol-2-yl)-1-(2,6-dimethoxy-4-pyridinyl)-5-imino-2H-pyrrol-3-ol;4-(1H-benzimidazol-2-yl)-1-(4,6-dimethoxy-2-pyridinyl)-5-imino-2H-pyrrol-3-ol;(2S)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-methylpyrrolidin-3-one;(2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-methylpyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3-ethyl-5-methoxyphenyl)-2,2-dimethyl-5-methyliminopyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-2,2-dimethyl-5-(methylamino)-4-(1-methylbenzimidazol-2-yl)pyrrol-3-one
• SMILES: CCc1cc(OC)cc(N2/C(=N\C)C(=C3Cc4ccccc4N3)C(=O)C2(C)C)c1.CNC1=C(c2nc3ccccc3n2C)C(=O)C(C)(C)N1c1cc(OC)cc(OC)c1.[H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)[C@@H](C)N1c1cc(OC)cc(OC)c1.[H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)[C@H](C)N1c1cc(OC)cc(OC)c1.[H]/N=C1/C(c2nc3ccccc3[nH]2)=C(O)CN1c1cc(OC)cc(OC)n1.[H]/N=C1/C(c2nc3ccccc3[nH]2)=C(O)CN1c1cc(OC)nc(OC)c1
• InChI: InChI=1S/C24H27N3O2.C23H26N4O3.2C21H21N3O3.2C18H17N5O3/c1-6-15-11-17(14-18(12-15)29-5)27-23(25-4)21(22(28)24(27,2)3)20-13-16-9-7-8-10-19(16)26-20;1-23(2)20(28)19(22-25-17-9-7-8-10-18(17)26(22)4)21(24-3)27(23)14-11-15(29-5)13-16(12-14)30-6;2*1-12-20(25)19(18-8-13-6-4-5-7-17(13)23-18)21(22)24(12)14-9-15(26-2)11-16(10-14)27-3;1-25-10-7-14(22-15(8-10)26-2)23-9-13(24)16(17(23)19)18-20-11-5-3-4-6-12(11)21-18;1-25-14-7-10(8-15(22-14)26-2)23-9-13(24)16(17(23)19)18-20-11-5-3-4-6-12(11)21-18/h7-12,14,26H,6,13H2,1-5H3;7-13,24H,1-6H3;2*4-7,9-12,22-23H,8H2,1-3H3;2*3-8,19,24H,9H2,1-2H3,(H,20,21)/b21-20?,25-23-;;2*19-18?,22-21-;2*19-17-/t;;2*12-;;/m..10../s1
• InChIKey: MRQZDWTXBYMNQC-DJRLQJBUSA-N
• XLogP: 19.97
• TPSA: 486.55 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 33
• Rotatable Bonds: 22
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2225.55
LogP ≤ 5	19.97
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-1-(2,6-dimethoxy-4-pyridinyl)-5-imino-2H-pyrrol-3-ol;4-(1H-benzimidazol-2-yl)-1-(4,6-dimethoxy-2-pyridinyl)-5-imino-2H-pyrrol-3-ol;(2S)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-methylpyrrolidin-3-one;(2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-methylpyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3-ethyl-5-methoxyphenyl)-2,2-dimethyl-5-methyliminopyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-2,2-dimethyl-5-(methylamino)-4-(1-methylbenzimidazol-2-yl)pyrrol-3-one?

The IUPAC name of 4-(1H-benzimidazol-2-yl)-1-(2,6-dimethoxy-4-pyridinyl)-5-imino-2H-pyrrol-3-ol;4-(1H-benzimidazol-2-yl)-1-(4,6-dimethoxy-2-pyridinyl)-5-imino-2H-pyrrol-3-ol;(2S)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-methylpyrrolidin-3-one;(2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-methylpyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3-ethyl-5-methoxyphenyl)-2,2-dimethyl-5-methyliminopyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-2,2-dimethyl-5-(methylamino)-4-(1-methylbenzimidazol-2-yl)pyrrol-3-one (CID 160609662) is 4-(1H-benzimidazol-2-yl)-1-(2,6-dimethoxy-4-pyridinyl)-5-imino-2H-pyrrol-3-ol;4-(1H-benzimidazol-2-yl)-1-(4,6-dimethoxy-2-pyridinyl)-5-imino-2H-pyrrol-3-ol;(2S)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-methylpyrrolidin-3-one;(2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-methylpyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3-ethyl-5-methoxyphenyl)-2,2-dimethyl-5-methyliminopyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-2,2-dimethyl-5-(methylamino)-4-(1-methylbenzimidazol-2-yl)pyrrol-3-one.

What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-1-(2,6-dimethoxy-4-pyridinyl)-5-imino-2H-pyrrol-3-ol;4-(1H-benzimidazol-2-yl)-1-(4,6-dimethoxy-2-pyridinyl)-5-imino-2H-pyrrol-3-ol;(2S)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-methylpyrrolidin-3-one;(2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-methylpyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3-ethyl-5-methoxyphenyl)-2,2-dimethyl-5-methyliminopyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-2,2-dimethyl-5-(methylamino)-4-(1-methylbenzimidazol-2-yl)pyrrol-3-one?

The canonical SMILES for 4-(1H-benzimidazol-2-yl)-1-(2,6-dimethoxy-4-pyridinyl)-5-imino-2H-pyrrol-3-ol;4-(1H-benzimidazol-2-yl)-1-(4,6-dimethoxy-2-pyridinyl)-5-imino-2H-pyrrol-3-ol;(2S)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-methylpyrrolidin-3-one;(2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-methylpyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3-ethyl-5-methoxyphenyl)-2,2-dimethyl-5-methyliminopyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-2,2-dimethyl-5-(methylamino)-4-(1-methylbenzimidazol-2-yl)pyrrol-3-one is CCc1cc(OC)cc(N2/C(=N\C)C(=C3Cc4ccccc4N3)C(=O)C2(C)C)c1.CNC1=C(c2nc3ccccc3n2C)C(=O)C(C)(C)N1c1cc(OC)cc(OC)c1.[H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)[C@@H](C)N1c1cc(OC)cc(OC)c1.[H]/N=C1/C(=C2Cc3ccccc3N2)C(=O)[C@H](C)N1c1cc(OC)cc(OC)c1.[H]/N=C1/C(c2nc3ccccc3[nH]2)=C(O)CN1c1cc(OC)cc(OC)n1.[H]/N=C1/C(c2nc3ccccc3[nH]2)=C(O)CN1c1cc(OC)nc(OC)c1.

What is the InChIKey of 4-(1H-benzimidazol-2-yl)-1-(2,6-dimethoxy-4-pyridinyl)-5-imino-2H-pyrrol-3-ol;4-(1H-benzimidazol-2-yl)-1-(4,6-dimethoxy-2-pyridinyl)-5-imino-2H-pyrrol-3-ol;(2S)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-methylpyrrolidin-3-one;(2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-methylpyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3-ethyl-5-methoxyphenyl)-2,2-dimethyl-5-methyliminopyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-2,2-dimethyl-5-(methylamino)-4-(1-methylbenzimidazol-2-yl)pyrrol-3-one?

The InChIKey is MRQZDWTXBYMNQC-DJRLQJBUSA-N. The full InChI is InChI=1S/C24H27N3O2.C23H26N4O3.2C21H21N3O3.2C18H17N5O3/c1-6-15-11-17(14-18(12-15)29-5)27-23(25-4)21(22(28)24(27,2)3)20-13-16-9-7-8-10-19(16)26-20;1-23(2)20(28)19(22-25-17-9-7-8-10-18(17)26(22)4)21(24-3)27(23)14-11-15(29-5)13-16(12-14)30-6;2*1-12-20(25)19(18-8-13-6-4-5-7-17(13)23-18)21(22)24(12)14-9-15(26-2)11-16(10-14)27-3;1-25-10-7-14(22-15(8-10)26-2)23-9-13(24)16(17(23)19)18-20-11-5-3-4-6-12(11)21-18;1-25-14-7-10(8-15(22-14)26-2)23-9-13(24)16(17(23)19)18-20-11-5-3-4-6-12(11)21-18/h7-12,14,26H,6,13H2,1-5H3;7-13,24H,1-6H3;2*4-7,9-12,22-23H,8H2,1-3H3;2*3-8,19,24H,9H2,1-2H3,(H,20,21)/b21-20?,25-23-;;2*19-18?,22-21-;2*19-17-/t;;2*12-;;/m..10../s1.

What are the key properties of 4-(1H-benzimidazol-2-yl)-1-(2,6-dimethoxy-4-pyridinyl)-5-imino-2H-pyrrol-3-ol;4-(1H-benzimidazol-2-yl)-1-(4,6-dimethoxy-2-pyridinyl)-5-imino-2H-pyrrol-3-ol;(2S)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-methylpyrrolidin-3-one;(2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-methylpyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3-ethyl-5-methoxyphenyl)-2,2-dimethyl-5-methyliminopyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-2,2-dimethyl-5-(methylamino)-4-(1-methylbenzimidazol-2-yl)pyrrol-3-one?

4-(1H-benzimidazol-2-yl)-1-(2,6-dimethoxy-4-pyridinyl)-5-imino-2H-pyrrol-3-ol;4-(1H-benzimidazol-2-yl)-1-(4,6-dimethoxy-2-pyridinyl)-5-imino-2H-pyrrol-3-ol;(2S)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-methylpyrrolidin-3-one;(2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-methylpyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3-ethyl-5-methoxyphenyl)-2,2-dimethyl-5-methyliminopyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-2,2-dimethyl-5-(methylamino)-4-(1-methylbenzimidazol-2-yl)pyrrol-3-one has a molecular weight of 2225.55 g/mol, XLogP of 19.97, 22 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1H-benzimidazol-2-yl)-1-(2,6-dimethoxy-4-pyridinyl)-5-imino-2H-pyrrol-3-ol;4-(1H-benzimidazol-2-yl)-1-(4,6-dimethoxy-2-pyridinyl)-5-imino-2H-pyrrol-3-ol;(2S)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-methylpyrrolidin-3-one;(2R)-4-(1,3-dihydroindol-2-ylidene)-1-(3,5-dimethoxyphenyl)-5-imino-2-methylpyrrolidin-3-one;4-(1,3-dihydroindol-2-ylidene)-1-(3-ethyl-5-methoxyphenyl)-2,2-dimethyl-5-methyliminopyrrolidin-3-one;1-(3,5-dimethoxyphenyl)-2,2-dimethyl-5-(methylamino)-4-(1-methylbenzimidazol-2-yl)pyrrol-3-one is sourced from PubChem (CID 160609662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).